UCSF

ZINC54680996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 6th, 2010 28 Yes

Popular Name: (2S)-3-cyclopropyl-2-[2-(3-pyridylmethoxy)phenyl]-1,2-dihydroquinazolin-4-one (2S)-3-cyclopropyl-2-[2-(3-pyrid…

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Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.88 10.82 -12.03 1 5 0 54 371.44 5 ↓
Lo Low (pH 4.5-6) 2.88 11.28 -50.65 2 5 1 56 372.448 5 ↓

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Analogs ( Draw Identity 99% 90% 80% 70% )

No pre-computed analogs available. Try a structural similarity search.